#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1x s ASN 2 N 0.00 1.93 -0.31 6.12 -0.87 -1.26 -5.12 114.94 115.43 2k1x s ASN 2 Ca 0.00 -0.55 0.05 0.00 -1.57 0.00 0.00 52.86 50.79 2k1x s ASN 2 Cb 0.00 -0.11 0.18 0.00 -0.02 0.00 0.00 41.25 41.30 2k1x s ASN 2 CO 0.00 0.03 0.54 0.00 -2.57 0.00 0.00 177.10 175.09 2k1x s ALA 3 N -1.01 -1.99 -0.20 0.60 0.00 -1.26 -5.13 121.76 112.77 2k1x s ALA 3 Ca 0.02 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 2k1x s ALA 3 Cb -0.09 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2k1x s ALA 3 CO 0.02 -1.88 0.99 0.00 0.00 0.00 0.00 175.76 174.88 2k1x s ALA 4 N 2.54 3.62 -0.56 0.00 0.00 -1.26 -5.00 121.76 121.10 2k1x s ALA 4 Ca 0.11 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 2k1x s ALA 4 Cb -0.10 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2k1x s ALA 4 CO -0.23 -0.92 0.85 -2.00 0.00 0.00 0.00 175.76 173.46 2k1x s GLU 5 N 2.85 3.22 -0.35 0.00 2.12 -1.26 -4.56 118.70 120.71 2k1x s GLU 5 Ca 0.43 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 55.13 2k1x s GLU 5 Cb -0.16 -4.11 0.07 0.00 0.26 0.00 0.00 34.13 30.20 2k1x s GLU 5 CO 0.09 -1.48 0.11 0.08 -0.54 0.00 0.00 175.26 173.52 2k1x s VAL 6 N 3.54 3.26 -0.28 3.70 1.01 -1.26 -4.07 120.40 126.30 2k1x s VAL 6 Ca 0.24 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.58 2k1x s VAL 6 Cb -0.16 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.25 2k1x s VAL 6 CO 0.15 -0.38 -0.05 -0.51 0.00 0.00 0.00 175.10 174.31 2k1x s ILE 7 N 1.23 2.62 0.12 2.22 1.10 -1.22 -3.27 121.20 124.00 2k1x s ILE 7 Ca 0.01 -1.48 0.03 0.00 -0.51 0.00 0.00 60.65 58.71 2k1x s ILE 7 Cb -0.21 -2.51 -0.04 0.00 0.15 0.00 0.00 42.46 39.85 2k1x s ILE 7 CO -0.02 -0.05 -0.09 0.68 -2.11 0.00 0.00 174.94 173.35 2k1x s VAL 8 N 1.19 0.98 -0.02 4.00 -7.23 -1.19 -2.36 120.40 115.77 2k1x s VAL 8 Ca -0.07 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2k1x s VAL 8 Cb -0.20 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2k1x s VAL 8 CO -0.03 -0.76 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.59 2k1x s TYR 9 N -3.29 2.82 -0.38 2.82 1.51 -0.94 -2.88 117.35 117.01 2k1x s TYR 9 Ca 0.13 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 2k1x s TYR 9 Cb 0.03 -1.62 0.48 0.00 -0.11 0.00 0.00 41.96 40.74 2k1x s TYR 9 CO -0.01 0.30 1.77 0.39 -1.11 0.00 0.00 175.55 176.89 2k1x n GLU 10 N 1.89 2.02 -3.22 -0.62 1.02 0.84 -3.86 120.64 118.71 2k1x n GLU 10 Ca -0.16 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 2k1x n GLU 10 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k1x n HIS 11 N -0.69 0.00 -0.85 -0.32 8.25 -1.26 -4.53 115.22 115.82 2k1x n HIS 11 Ca 0.46 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.61 2k1x n HIS 11 Cb 1.26 0.00 0.15 0.00 1.12 0.00 0.00 29.99 32.52 2k1x n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2k1x s VAL 12 N -3.00 2.37 -0.72 1.59 1.01 -1.23 -3.16 120.40 117.26 2k1x s VAL 12 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2k1x s VAL 12 Cb 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.04 2k1x s VAL 12 CO 0.00 -0.16 3.04 -3.20 0.00 0.00 0.00 175.10 174.79 2k1x n ASN 13 N -4.04 6.86 -0.48 3.32 2.85 -1.26 -3.43 115.26 119.08 2k1x n ASN 13 Ca 0.11 -2.80 -0.01 0.00 -0.11 0.00 0.00 54.58 51.77 2k1x n ASN 13 Cb 0.52 -1.39 -0.01 0.00 1.24 0.00 0.00 39.78 40.14 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2k1x n PHE 14 N 2.20 0.00 0.00 1.20 -1.74 -1.26 -5.02 117.46 112.84 2k1x n PHE 14 Ca 0.56 -0.05 0.00 0.00 -0.56 0.00 0.00 57.45 57.40 2k1x n PHE 14 Cb 0.55 0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.81 2k1x n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1x n GLY 15 N 0.00 0.00 3.24 4.97 0.00 -1.22 -5.18 105.19 106.99 2k1x n GLY 15 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2k1x n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1x s GLY 16 N 0.00 1.52 -0.22 -0.02 0.00 -1.22 -4.67 107.32 102.71 2k1x s GLY 16 Ca 0.00 -1.71 -0.19 0.00 0.00 0.00 0.00 44.72 42.82 2k1x s GLY 16 CO 0.00 -1.36 0.56 1.25 0.00 0.00 0.00 173.10 173.54 2k1x s LYS 17 N -4.03 4.16 0.11 2.90 2.36 -1.26 -4.90 119.74 119.08 2k1x s LYS 17 Ca 0.38 0.46 0.11 0.00 -2.55 0.00 0.00 55.97 54.37 2k1x s LYS 17 Cb 0.06 -3.59 -0.04 0.00 -1.05 0.00 0.00 37.83 33.21 2k1x s LYS 17 CO 0.14 -0.23 -0.27 -1.54 1.55 0.00 0.00 175.35 175.00 2k1x s SER 18 N 1.27 3.28 -0.12 1.43 1.04 -1.26 -0.11 113.70 119.23 2k1x s SER 18 Ca 0.25 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 2k1x s SER 18 Cb -0.16 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.76 2k1x s SER 18 CO 0.10 0.20 0.32 0.72 0.98 0.00 0.00 173.24 175.55 2k1x s PHE 19 N -1.00 -0.35 -0.52 5.02 -0.12 -1.14 -5.03 117.98 114.85 2k1x s PHE 19 Ca 0.13 0.85 0.03 0.00 -0.05 0.00 0.00 56.93 57.90 2k1x s PHE 19 Cb -0.10 0.12 0.14 0.00 -0.63 0.00 0.00 43.02 42.55 2k1x s PHE 19 CO 0.05 -0.17 0.31 0.16 -0.05 0.00 0.00 175.22 175.52 2k1x s ASP 20 N 0.20 3.91 0.35 1.98 1.47 -1.26 -3.17 116.67 120.14 2k1x s ASP 20 Ca -0.00 -3.03 -0.01 0.00 1.18 0.00 0.00 52.55 50.69 2k1x s ASP 20 Cb -0.02 -1.29 0.00 0.00 -0.34 0.00 0.00 42.92 41.27 2k1x s ASP 20 CO 0.00 -0.21 0.48 0.00 0.68 0.00 0.00 175.17 176.12 2k1x s ALA 21 N -0.23 0.88 -0.23 2.11 0.00 -1.20 -4.93 121.76 118.15 2k1x s ALA 21 Ca 0.20 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 2k1x s ALA 21 Cb -0.18 1.17 0.12 0.00 0.00 0.00 0.00 23.12 24.22 2k1x s ALA 21 CO -0.05 -0.79 0.45 -0.08 0.00 0.00 0.00 175.76 175.30 2k1x s THR 22 N -2.97 -0.71 0.00 0.00 -1.32 -1.26 -4.05 115.64 105.33 2k1x s THR 22 Ca 0.31 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 2k1x s THR 22 Cb -0.01 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2k1x s THR 22 CO 0.22 0.01 0.00 -0.24 -2.21 0.00 0.00 174.62 172.39 2k1x n SER 23 N 5.39 0.00 -2.68 8.08 2.88 -1.26 -5.00 113.62 121.04 2k1x n SER 23 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2k1x n SER 23 Cb 0.50 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.01 2k1x n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k1x n ASP 24 N -0.39 1.24 -4.88 -3.46 2.03 -1.26 -5.12 116.55 104.71 2k1x n ASP 24 Ca 0.00 -2.03 -0.30 0.00 0.52 0.00 0.00 54.79 52.97 2k1x n ASP 24 Cb 0.00 -0.36 0.03 0.00 -0.72 0.00 0.00 41.12 40.07 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k1x s GLN 25 N -3.08 3.24 0.00 -0.67 1.11 -1.26 -5.08 119.66 113.92 2k1x s GLN 25 Ca 0.26 0.56 0.00 0.00 0.01 0.00 0.00 55.36 56.19 2k1x s GLN 25 Cb 0.33 -2.08 0.00 0.00 -1.01 0.00 0.00 33.01 30.26 2k1x s GLN 25 CO -0.06 -0.77 0.00 -0.35 0.01 0.00 0.00 175.29 174.13 2k1x n PRO 26 N -2.83 -0.80 0.00 2.91 -0.04 -1.26 -5.05 135.00 127.93 2k1x n PRO 26 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2k1x n PRO 26 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2k1x n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1x n GLY 27 N 2.87 -1.88 3.48 0.55 0.00 -1.26 -5.12 105.19 103.84 2k1x n GLY 27 Ca 0.00 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x s ALA 28 N -1.00 0.92 0.00 4.61 0.00 -1.26 -5.01 121.76 120.02 2k1x s ALA 28 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2k1x s ALA 28 Cb 0.00 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.29 2k1x s ALA 28 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2k1x n GLY 29 N -0.60 1.13 2.80 0.00 0.00 -1.26 -5.02 105.19 102.24 2k1x n GLY 29 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2k1x n GLY 29 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k1x s ASP 30 N -2.00 -0.05 -0.32 1.61 -4.77 -1.26 -5.11 116.67 104.77 2k1x s ASP 30 Ca 0.00 -0.02 -0.09 0.00 -3.30 0.00 0.00 52.55 49.14 2k1x s ASP 30 Cb 0.00 0.33 0.19 0.00 -1.09 0.00 0.00 42.92 42.34 2k1x s ASP 30 CO 0.00 -0.01 1.01 0.20 0.70 0.00 0.00 175.17 177.08 2k1x s ASN 31 N 2.26 -0.45 -0.79 2.11 0.01 -1.26 -5.02 114.94 111.80 2k1x s ASN 31 Ca 0.19 -0.11 -0.21 0.00 -0.71 0.00 0.00 52.86 52.02 2k1x s ASN 31 Cb 0.04 0.87 0.09 0.00 0.41 0.00 0.00 41.25 42.66 2k1x s ASN 31 CO -0.18 -0.06 1.06 -0.76 -1.51 0.00 0.00 177.10 175.64 2k1x s LEU 32 N 2.36 4.61 -1.58 0.60 1.02 -1.26 -2.54 118.68 121.90 2k1x s LEU 32 Ca 0.20 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.90 2k1x s LEU 32 Cb 0.01 -2.42 0.00 0.00 0.02 0.00 0.00 46.19 43.80 2k1x s LEU 32 CO -0.18 -1.29 0.00 -3.20 0.02 0.00 0.00 176.35 171.70 2k1x n ASN 33 N 7.29 -4.69 -2.58 2.29 5.15 0.85 -4.82 115.26 118.76 2k1x n ASN 33 Ca 0.10 0.23 -0.07 0.00 -0.60 0.00 0.00 54.58 54.24 2k1x n ASN 33 Cb 0.47 -4.06 0.04 0.00 -0.53 0.00 0.00 39.78 35.70 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k1x n ASP 34 N -1.45 2.58 -4.41 1.20 2.03 -1.26 -5.03 116.55 110.20 2k1x n ASP 34 Ca -0.18 -2.55 -0.44 0.00 0.52 0.00 0.00 54.79 52.14 2k1x n ASP 34 Cb 0.60 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k1x s LYS 35 N -3.72 3.08 -0.28 -0.67 2.47 -1.26 -4.95 119.74 114.42 2k1x s LYS 35 Ca 0.34 -1.11 0.01 0.00 -1.56 0.00 0.00 55.97 53.65 2k1x s LYS 35 Cb 0.35 -4.20 0.16 0.00 -1.46 0.00 0.00 37.83 32.68 2k1x s LYS 35 CO -0.02 -1.45 0.44 0.96 0.16 0.00 0.00 175.35 175.44 2k1x s ILE 36 N 2.80 -0.70 0.00 5.43 -4.36 -1.26 -4.78 121.20 118.33 2k1x s ILE 36 Ca 0.14 -0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.36 2k1x s ILE 36 Cb -0.22 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.56 2k1x s ILE 36 CO 0.09 -0.18 0.00 -1.54 0.24 0.00 0.00 174.94 173.55 2k1x n SER 37 N 5.37 0.00 -4.28 4.36 3.41 -1.24 -3.50 113.62 117.73 2k1x n SER 37 Ca -0.00 -0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 57.75 2k1x n SER 37 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 2k1x n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1x s SER 38 N -0.01 2.34 -0.02 4.04 0.15 -1.19 -3.38 113.70 115.63 2k1x s SER 38 Ca 0.00 -0.82 0.06 0.00 0.70 0.00 0.00 55.95 55.88 2k1x s SER 38 Cb 0.00 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2k1x s SER 38 CO 0.00 -0.08 -0.19 -0.63 1.20 0.00 0.00 173.24 173.55 2k1x s ILE 39 N -2.01 1.48 -0.01 6.45 1.09 0.72 -2.20 121.20 126.71 2k1x s ILE 39 Ca 0.12 -0.79 -0.08 0.00 -1.10 0.00 0.00 60.65 58.79 2k1x s ILE 39 Cb -0.06 -1.24 0.01 0.00 -1.06 0.00 0.00 42.46 40.11 2k1x s ILE 39 CO 0.05 0.42 0.17 -0.75 -0.10 0.00 0.00 174.94 174.72 2k1x s LYS 40 N -0.34 0.45 -0.27 2.79 2.20 -1.00 -1.63 119.74 121.93 2k1x s LYS 40 Ca 0.05 -0.24 -0.24 0.00 -0.36 0.00 0.00 55.97 55.18 2k1x s LYS 40 Cb -0.08 0.19 0.08 0.00 -1.51 0.00 0.00 37.83 36.51 2k1x s LYS 40 CO -0.00 -0.10 0.77 0.54 -0.36 0.00 0.00 175.35 176.20 2k1x s VAL 41 N -1.06 0.00 -0.28 4.02 0.11 -1.22 -3.40 120.40 118.57 2k1x s VAL 41 Ca -0.11 0.00 0.18 0.00 -2.93 0.00 0.00 61.98 59.12 2k1x s VAL 41 Cb -0.06 -1.00 0.49 0.00 -1.53 0.00 0.00 36.38 34.28 2k1x s VAL 41 CO 0.02 0.00 1.12 0.29 -3.33 0.00 0.00 175.10 173.19 2k1x n LYS 42 N 2.79 2.20 -3.16 1.54 4.76 -1.26 -3.52 118.16 121.51 2k1x n LYS 42 Ca -0.14 -3.68 0.04 0.00 -2.87 0.00 0.00 58.31 51.66 2k1x n LYS 42 Cb 0.56 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k1x s SER 43 N -3.71 -0.02 0.55 4.39 0.15 -1.26 -4.90 113.70 108.90 2k1x s SER 43 Ca 0.33 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2k1x s SER 43 Cb 0.35 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 2k1x s SER 43 CO -0.02 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2k1x n GLY 44 N 4.58 -0.61 3.25 9.45 0.00 -1.26 -4.61 105.19 115.98 2k1x n GLY 44 Ca -0.06 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2k1x n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1x s THR 45 N 0.00 0.04 0.44 2.61 -4.23 -1.24 -4.62 115.64 108.64 2k1x s THR 45 Ca 0.00 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2k1x s THR 45 Cb 0.00 -0.59 -0.05 0.00 1.34 0.00 0.00 72.50 73.19 2k1x s THR 45 CO 0.00 -0.20 0.09 0.26 -0.54 0.00 0.00 174.62 174.23 2k1x s TRP 46 N -0.98 2.38 -0.18 3.99 0.51 -1.17 -4.44 118.94 119.05 2k1x s TRP 46 Ca -0.10 -0.70 -0.02 0.00 -2.12 0.00 0.00 56.10 53.15 2k1x s TRP 46 Cb -0.04 -1.82 -0.01 0.00 -0.81 0.00 0.00 33.47 30.78 2k1x s TRP 46 CO 0.04 0.27 -0.08 1.03 -0.51 0.00 0.00 176.95 177.69 2k1x s ARG 47 N -3.84 3.38 -0.16 4.98 3.00 -1.24 -0.02 118.95 125.05 2k1x s ARG 47 Ca 0.32 -0.65 -0.01 0.00 0.00 0.00 0.00 55.73 55.39 2k1x s ARG 47 Cb 0.06 -2.84 -0.01 0.00 0.00 0.00 0.00 34.95 32.16 2k1x s ARG 47 CO 0.17 -0.02 -0.10 -0.06 0.00 0.00 0.00 175.30 175.29 2k1x s PHE 48 N 0.98 2.86 -0.03 -0.53 0.08 0.33 -2.74 117.98 118.94 2k1x s PHE 48 Ca -0.01 -0.82 -0.00 0.00 0.12 0.00 0.00 56.93 56.22 2k1x s PHE 48 Cb -0.15 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2k1x s PHE 48 CO -0.00 -0.37 0.02 1.52 -0.10 0.00 0.00 175.22 176.29 2k1x s TYR 49 N 0.80 0.24 -0.80 0.36 -0.85 -0.93 -1.44 117.35 114.72 2k1x s TYR 49 Ca -0.04 0.06 -0.12 0.00 -0.52 0.00 0.00 57.07 56.46 2k1x s TYR 49 Cb -0.15 -0.42 0.21 0.00 0.38 0.00 0.00 41.96 41.98 2k1x s TYR 49 CO 0.01 -0.15 0.73 -2.00 -1.52 0.00 0.00 175.55 172.61 2k1x s GLU 50 N 1.36 3.45 0.00 -3.49 2.12 -1.26 -1.87 118.70 119.02 2k1x s GLU 50 Ca -0.05 -2.51 0.00 0.00 0.36 0.00 0.00 54.97 52.77 2k1x s GLU 50 Cb -0.13 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 29.94 2k1x s GLU 50 CO -0.03 -1.27 0.00 0.66 -0.54 0.00 0.00 175.26 174.08 2k1x n TYR 51 N 3.84 0.00 -0.61 5.30 4.01 0.84 -4.40 117.16 126.13 2k1x n TYR 51 Ca 0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.58 2k1x n TYR 51 Cb 0.45 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.66 2k1x n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1x n ILE 52 N 4.18 0.00 -1.28 -0.72 -6.64 -1.26 -4.15 119.36 109.48 2k1x n ILE 52 Ca 0.00 -0.22 -0.21 0.00 -1.77 0.00 0.00 62.75 60.55 2k1x n ILE 52 Cb 0.00 -0.60 -0.11 0.00 -1.44 0.00 0.00 39.64 37.50 2k1x n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2k1x n ASN 53 N -1.82 5.96 0.00 7.28 5.15 -1.26 -3.78 115.26 126.79 2k1x n ASN 53 Ca 0.02 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 51.11 2k1x n ASN 53 Cb 0.56 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 2k1x n ASN 53 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1x n TYR 54 N 1.59 0.00 -0.05 1.20 0.18 -1.26 -5.16 117.16 113.66 2k1x n TYR 54 Ca 0.47 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.25 2k1x n TYR 54 Cb 0.71 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.67 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k1x n GLY 55 N 0.00 -0.56 3.75 -7.48 0.00 -1.25 -5.18 105.19 94.48 2k1x n GLY 55 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2k1x n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1x n GLY 56 N 0.00 -2.12 3.61 -0.02 0.00 -1.26 -4.69 105.19 100.71 2k1x n GLY 56 Ca 0.00 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 2k1x n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1x s ARG 57 N -0.15 3.83 -0.70 1.61 1.04 -1.26 -4.94 118.95 118.38 2k1x s ARG 57 Ca 0.00 0.71 -0.27 0.00 -1.04 0.00 0.00 55.73 55.13 2k1x s ARG 57 Cb 0.00 -3.85 0.03 0.00 -2.04 0.00 0.00 34.95 29.09 2k1x s ARG 57 CO 0.00 -1.19 1.31 -0.47 -0.04 0.00 0.00 175.30 174.90 2k1x s TYR 58 N 4.11 2.29 -0.22 5.89 5.04 -1.26 -4.10 117.35 129.08 2k1x s TYR 58 Ca 0.46 0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.15 2k1x s TYR 58 Cb -0.09 -4.57 0.07 0.00 0.35 0.00 0.00 41.96 37.72 2k1x s TYR 58 CO 0.25 -2.02 0.05 -0.46 -1.34 0.00 0.00 175.55 172.03 2k1x s TRP 59 N 5.85 1.20 0.44 4.97 -0.00 -0.52 -5.00 118.94 125.87 2k1x s TRP 59 Ca 0.39 -1.08 -0.13 0.00 -0.00 0.00 0.00 56.10 55.28 2k1x s TRP 59 Cb -0.08 -1.18 -0.07 0.00 -0.00 0.00 0.00 33.47 32.13 2k1x s TRP 59 CO 0.17 -0.68 0.85 0.16 -0.00 0.00 0.00 176.95 177.44 2k1x s ASP 60 N 1.80 6.58 0.04 5.86 -4.77 -1.26 -0.51 116.67 124.42 2k1x s ASP 60 Ca 0.01 1.31 -0.02 0.00 -3.30 0.00 0.00 52.55 50.55 2k1x s ASP 60 Cb -0.17 -2.40 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 2k1x s ASP 60 CO -0.13 -0.45 0.22 -0.22 0.70 0.00 0.00 175.17 175.29 2k1x s LEU 61 N -3.85 4.35 0.00 2.11 2.96 0.97 -4.86 118.68 120.36 2k1x s LEU 61 Ca 0.54 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 2k1x s LEU 61 Cb -0.10 -2.86 0.00 0.00 0.50 0.00 0.00 46.19 43.72 2k1x s LEU 61 CO 0.30 0.19 0.00 0.61 -1.32 0.00 0.00 176.35 176.13 2k1x n GLY 62 N 0.54 5.31 3.56 7.98 0.00 -1.26 -3.03 105.19 118.30 2k1x n GLY 62 Ca -0.07 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 2k1x n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1x s PRO 63 N -0.55 1.79 0.00 1.61 0.04 -1.26 -4.67 135.00 131.96 2k1x s PRO 63 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2k1x s PRO 63 Cb 0.00 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.69 2k1x s PRO 63 CO 0.00 -4.26 0.00 0.41 0.04 0.00 0.00 177.00 173.19 2k1x n GLY 64 N 6.81 0.33 3.09 0.56 0.00 -1.23 -5.06 105.19 109.69 2k1x n GLY 64 Ca 0.45 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 2k1x n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k1x s GLU 65 N -2.00 0.82 -0.04 1.61 -6.30 -1.26 -3.45 118.70 108.08 2k1x s GLU 65 Ca 0.00 -0.58 -0.19 0.00 -2.50 0.00 0.00 54.97 51.69 2k1x s GLU 65 Cb 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 34.13 33.38 2k1x s GLU 65 CO 0.00 0.20 0.42 1.52 0.02 0.00 0.00 175.26 177.42 2k1x s TYR 66 N -0.65 -0.33 -0.53 5.30 -0.85 -0.65 -5.00 117.35 114.64 2k1x s TYR 66 Ca 0.01 0.58 0.04 0.00 -0.52 0.00 0.00 57.07 57.18 2k1x s TYR 66 Cb -0.06 0.18 0.16 0.00 0.38 0.00 0.00 41.96 42.62 2k1x s TYR 66 CO 0.00 -0.43 0.37 -1.54 -1.52 0.00 0.00 175.55 172.43 2k1x s SER 67 N -1.14 3.20 0.25 -0.18 1.04 -1.26 -0.20 113.70 115.40 2k1x s SER 67 Ca -0.12 -3.25 -0.16 0.00 0.48 0.00 0.00 55.95 52.90 2k1x s SER 67 Cb -0.04 -1.01 -0.08 0.00 0.10 0.00 0.00 66.02 64.99 2k1x s SER 67 CO 0.05 -0.16 0.69 -0.44 0.98 0.00 0.00 173.24 174.37 2k1x s SER 68 N -0.42 6.89 0.00 7.02 0.01 -1.22 -4.94 113.70 121.04 2k1x s SER 68 Ca 0.26 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2k1x s SER 68 Cb -0.06 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2k1x s SER 68 CO -0.14 -0.06 0.68 1.33 0.41 0.00 0.00 173.24 175.47 2k1x n VAL 69 N 0.25 0.00 -1.95 3.43 0.24 -1.26 -3.70 118.33 115.34 2k1x n VAL 69 Ca -0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2k1x n VAL 69 Cb 0.52 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2k1x n VAL 69 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2k1x n GLU 70 N 0.00 0.02 0.00 7.34 0.28 -1.26 -4.96 120.64 122.05 2k1x n GLU 70 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2k1x n GLU 70 Cb 0.58 0.28 0.00 0.00 1.43 0.00 0.00 31.44 33.74 2k1x n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1x n SER 71 N -0.02 0.00 0.01 -1.84 2.88 -1.26 -4.97 113.62 108.42 2k1x n SER 71 Ca -0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.43 2k1x n SER 71 Cb 0.37 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 2k1x n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1x h ALA 72 N 0.00 -0.30 0.00 -1.46 0.00 -1.95 -3.43 119.26 112.12 2k1x h ALA 72 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k1x h ALA 72 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k1x h ALA 72 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 178.91 2k1x n GLY 73 N -1.39 -1.85 2.48 0.00 0.00 -1.26 -5.04 105.19 98.13 2k1x n GLY 73 Ca -0.03 1.02 -0.26 0.00 0.00 0.00 0.00 46.02 46.75 2k1x n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1x n ILE 74 N 0.00 1.95 0.02 -0.61 2.08 -1.26 -4.91 119.36 116.63 2k1x n ILE 74 Ca 0.00 -5.09 -0.11 0.00 0.56 0.00 0.00 62.75 58.11 2k1x n ILE 74 Cb 0.00 -1.85 -0.08 0.00 -0.75 0.00 0.00 39.64 36.96 2k1x n ILE 74 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2k1x h PRO 75 N 3.85 -0.14 0.00 0.38 0.13 -1.99 -3.50 132.00 130.73 2k1x h PRO 75 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2k1x h PRO 75 Cb 0.68 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2k1x h PRO 75 CO 0.76 0.34 0.00 -3.47 -0.23 0.00 0.00 178.00 175.41 2k1x n ASP 76 N -4.86 0.00 -1.99 1.44 2.03 -1.26 -5.09 116.55 106.82 2k1x n ASP 76 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2k1x n ASP 76 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2k1x n ASP 76 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k1x n ASN 77 N 0.00 0.00 -4.54 1.67 6.94 -1.26 -0.10 115.26 117.97 2k1x n ASN 77 Ca 0.00 -0.99 -0.41 0.00 -0.02 0.00 0.00 54.58 53.16 2k1x n ASN 77 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2k1x s SER 78 N -1.00 6.19 -0.45 0.53 0.15 -1.05 -4.45 113.70 113.61 2k1x s SER 78 Ca 0.00 -0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.43 2k1x s SER 78 Cb 0.00 -2.20 0.25 0.00 -1.71 0.00 0.00 66.02 62.35 2k1x s SER 78 CO 0.00 -0.38 0.76 2.30 1.20 0.00 0.00 173.24 177.12 2k1x n ILE 79 N 5.28 -0.25 -3.53 6.45 -5.35 -1.26 -4.92 119.36 115.78 2k1x n ILE 79 Ca -0.09 -2.43 -0.11 0.00 -0.27 0.00 0.00 62.75 59.85 2k1x n ILE 79 Cb 0.49 0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2k1x s SER 80 N -1.52 -0.46 0.07 7.28 1.04 -1.26 -0.11 113.70 118.74 2k1x s SER 80 Ca 0.33 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.33 2k1x s SER 80 Cb 0.21 0.60 0.08 0.00 0.10 0.00 0.00 66.02 67.01 2k1x s SER 80 CO -0.19 -1.01 0.86 -0.55 0.98 0.00 0.00 173.24 173.33 2k1x s SER 81 N -2.79 -0.33 -0.16 7.02 0.15 -0.78 -4.04 113.70 112.77 2k1x s SER 81 Ca 0.03 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 2k1x s SER 81 Cb -0.01 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 2k1x s SER 81 CO -0.10 -0.78 0.40 0.72 1.20 0.00 0.00 173.24 174.69 2k1x s PHE 82 N -3.29 -0.49 -0.25 3.44 -0.71 -1.26 -2.19 117.98 113.23 2k1x s PHE 82 Ca 0.07 1.14 -0.21 0.00 -1.04 0.00 0.00 56.93 56.89 2k1x s PHE 82 Cb -0.01 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2k1x s PHE 82 CO -0.06 -0.26 0.68 1.03 -1.34 0.00 0.00 175.22 175.27 2k1x s ARG 83 N 0.65 4.13 -0.68 1.99 1.81 -1.11 -4.90 118.95 120.84 2k1x s ARG 83 Ca -0.04 0.64 -0.27 0.00 -1.72 0.00 0.00 55.73 54.35 2k1x s ARG 83 Cb -0.05 -3.64 0.03 0.00 -0.45 0.00 0.00 34.95 30.83 2k1x s ARG 83 CO -0.04 -0.43 1.30 -0.65 -0.68 0.00 0.00 175.30 174.80 2k1x s GLN 84 N 2.55 3.26 0.00 3.54 -0.21 -1.26 -3.59 119.66 123.94 2k1x s GLN 84 Ca 0.28 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.65 2k1x s GLN 84 Cb -0.15 -4.14 0.00 0.00 1.00 0.00 0.00 33.01 29.71 2k1x s GLN 84 CO 0.08 -2.04 0.37 0.44 -2.12 0.00 0.00 175.29 172.02